A table of known interferences for per- and polyfluoroalkyl substances using mass spectrometry.

Data here contain and describe an open-source structured query language (SQLite) portable database containing high resolution mass spectrometry data (MS1 and MS2) for per- and polyfluorinated alykl substances (PFAS) and associated metadata regarding their measurement techniques, quality assurance metrics, and the samples from which they were produced. These data are stored in a format adhering to the Database Infrastructure for Mass Spectrometry (DIMSpec) project. That project produces and uses databases like this one, providing a complete toolkit for non-targeted analysis.

The NIST DART-MS Forensics Database is an evaluated collection of in-source collisionally-induced dissociation (is-CID) mass spectra of compounds of interest to the forensics community (e.g. seized drugs, cutting agents, etc.). The is-CID mass spectra were collected using Direct Analysis in Real-Time (DART) Mass Spectrometry (MS), either by NIST scientists or by contributing agencies noted per compound. The database is provided as a general-purpose structure data file (.SDF).

This data publication contains the mass spectrometry chemical characterization of microplastic and nanoplastic chemical analysis. The data from this study includes mass spectra of pure, mixed, and weathered microplastics and nanoplastics at high and low fragmentation, extracted ion chronograms, Kendrick mass defect plots, code, and the derived and processed data. The data analysis code (MATLAB 2022a*) used for unsupervised learning of cluster and compositional relationships is also included.

Standard Reference Material 2682c Subbituminous Coal (Nominal Mass Fraction 0.5 % Sulfur) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 2682c consists of 50 g of subbituminous coal that was ground to pass a 250 µm (60 mesh) sieve, homogenized, packaged in an amber glass bottle under an argon atmosphere, and then sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

SRM 2683c Bituminous Coal (Nominal Mass Fraction 2 % Sulfur) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques employed in the determination of sulfur, mercury, and chlorine in coal and materials of a similar matrix. A unit of SRM 2683c consists of 50 g of bituminous coal ground to pass a 250 µm (60 mesh) sieve, homogenized, packaged in an amber glass bottle under an argon atmosphere, and sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

Standard Reference Material 2684c Bituminous Coal (Nominal Mass Fraction 3 % Sulfur) - This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 2684c consists of 50 g of bituminous coal that was ground to pass a 212 µm (70 mesh) sieve, homogenized, packaged in an amber glass bottle under an argon atmosphere, and then sealed in an aluminized bag. This data is public in the Certificate of Analysis for this material.

This Standard Reference Material (SRM) is intended primarily for use in the evaluation of techniques used in the analysis of coals and materials of a similar matrix. A unit of SRM 2685c consists of 50 g of bituminous coal ground to pass a 250 ?m (60 mesh) sieve, homogenized, and packaged in an amber glass bottle under an argon atmosphere, and sealed in an aluminized bag.

Standard Reference Material 2689 Coal Fly Ash - This Standard Reference Material (SRM) is intended for use in the evaluation of analytical methods used for the classification of coal fly ash and for the determination of constituent elements in coal fly ash or materials of a similar matrix. A unit of SRM 2689 consists of three 10 g hermetically sealed glass vials of fly ash pulverized to less than 150 µm particle size and blended to a high degree of homogeneity. This data is public in the Certificate of Analysis for this material.

Standard Reference Material 2690 Coal Fly Ash - This Standard Reference Material (SRM) is intended for use in the evaluation of analytical methods used for the classification of coal fly ash and for the determination of constituent elements in coal fly ash or materials of a similar matrix. A unit of SRM 2690 consists of three 10 g hermetically sealed glass vials of fly ash pulverized to less than 150 ?m particle size and blended to a high degree of homogeneity. This data is public in the Certificate of Analysis for this material.